2-[(4-ethoxyphenyl)methyl-[(3-methylphenyl)carbamothioyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(4-ethoxyphenyl)methyl-[(3-methylphenyl)carbamothioyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[(4-ethoxyphenyl)methyl-(m-tolylcarbamothioyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[(4-ethoxyphenyl)methyl-[(3-methylanilino)-sulfanylidenemethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(4-ethoxyphenyl)methyl-[(3-methylphenyl)carbamothioyl]amino]-4-methylpentanoic acid Traditional Name: 2-[(4-ethoxybenzyl)-(m-tolylthiocarbamoyl)amino]-4-methyl-valeric acid Formula: C23H30N2O3S MolecularWeight: 414.5609

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C(CC(C)C)C(=O)O)C(=S)NC2=CC=CC(=C2)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C(CC(C)C)C(=O)O)C(=S)NC2=CC=CC(=C2)C

InChI

InChI=1S/C23H30N2O3S/c1-5-28-20-11-9-18(10-12-20)15-25(21(22(26)27)13-16(2)3)23(29)24-19-8-6-7-17(4)14-19/h6-12,14,16,21H,5,13,15H2,1-4H3,(H,24,29)(H,26,27)